2-hydroxybenzonitrile

C7H5NO — CID 11907

IUPAC2-hydroxybenzonitrile
SMILESN#Cc1ccccc1O
InChIInChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKeyCHZCERSEMVWNHL-UHFFFAOYSA-N
MW119.12 g/mol
LogP1.26
Rot. Bonds

About 2-hydroxybenzonitrile

2-hydroxybenzonitrile (PubChem CID 11907) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is 2-hydroxybenzonitrile.

Molecular Properties

Compound Name2-hydroxybenzonitrile
PubChem CID11907
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Name2-hydroxybenzonitrile
SMILESN#Cc1ccccc1O
InChIInChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H
InChIKeyCHZCERSEMVWNHL-UHFFFAOYSA-N
XLogP1.26
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-hydroxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzonitrile?
The IUPAC name of 2-hydroxybenzonitrile (CID 11907) is 2-hydroxybenzonitrile.
What is the SMILES notation for 2-hydroxybenzonitrile?
The canonical SMILES for 2-hydroxybenzonitrile is N#Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzonitrile?
The InChIKey is CHZCERSEMVWNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H.
What are the key properties of 2-hydroxybenzonitrile?
2-hydroxybenzonitrile has a molecular weight of 119.12 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzonitrile is sourced from PubChem (CID 11907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).